2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide

C14H21Cl2N3O2 — CID 46605787

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C14H21Cl2N3O2/c1-9(2)5-4-6-10(3)18-12(20)8-19-14(21)13(16)11(15)7-17-19/h7,9-10H,4-6,8H2,1-3H3,(H,18,20)
InChIKeyAKKJZLPOPIVPFM-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.88
Rot. Bonds7

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 46605787) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
PubChem CID46605787
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C14H21Cl2N3O2/c1-9(2)5-4-6-10(3)18-12(20)8-19-14(21)13(16)11(15)7-17-19/h7,9-10H,4-6,8H2,1-3H3,(H,18,20)
InChIKeyAKKJZLPOPIVPFM-UHFFFAOYSA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9492221
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2585112
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8862244
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8862252
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide (CID 46605787) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is AKKJZLPOPIVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O2/c1-9(2)5-4-6-10(3)18-12(20)8-19-14(21)13(16)11(15)7-17-19/h7,9-10H,4-6,8H2,1-3H3,(H,18,20).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 334.25 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 46605787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).